ethyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(piperonylthiocarbamoyl)pyrazolidin-1-yl]butyric acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O5S/c1-2-24-17(23)7-6-16(22)20-8-3-9-21(20)18(27)19-11-13-4-5-14-15(10-13)26-12-25-14/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,27)